5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0860 |
| Compound Name: | 5-amino-1-[(5-bromo-2-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 432.27 |
| Molecular Formula: | C18 H18 Br N5 O3 |
| Smiles: | COc1cccc(c1)NC(c1c(N)n(Cc2cc(ccc2OC)[Br])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9297 |
| logD: | 2.9297 |
| logSw: | -3.3744 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.462 |
| InChI Key: | MTPYSLVTTRNCRU-UHFFFAOYSA-N |